SCHEMBL2814636

SCHEMBL2814636

CC(C)(CC(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
NOS1 P29475 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 1/20 0.43
CES1 P23141 1/20 0.43
CYP3A4 P08684 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX15 P16050 1/20 0.42
PLAU P00749 1/20 0.42
THRB P10828 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6202390 0.85 ALDH1A1 (0.49) ALDH1A1POLBMAPK1HSD11B1CES1
SCHEMBL30962634 0.84 TSHR (0.46) TSHRALDH1A1POLBNOS1GAA
SCHEMBL428785 0.79 ALDH1A1 (0.49) TSHRALDH1A1POLBMAPK1HSD11B1
SCHEMBL394201 0.79 LOXL2 (0.52) TSHRALDH1A1POLBNOS1MAPK1
SCHEMBL2814601 0.77 MAPT (0.55) TSHRALDH1A1POLBNOS1GAA
SCHEMBL6223902 0.77 ALDH1A1 (0.54) ALDH1A1POLBLMNAMAPK1HSD11B1
SCHEMBL12883202 0.77 NPC1 (0.46) TSHRALDH1A1GAALMNACA1
SCHEMBL26112086 0.77 ALDH1A1 (0.41) ALDH1A1HSD11B1
SCHEMBL22165685 0.76 ALDH1A1 (0.47) ALDH1A1GAALMNAMAPK1CYP3A4
SCHEMBL2820413 0.76 CYP3A4 (0.44) TSHRALDH1A1POLBGAACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG TSHR 19/4885ALDH1A1 1769/4885POLB 3820/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.